2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-homoveratryl-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C24H31N6O3+ MolecularWeight: 451.54134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC[N+]2(CCCCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4)OC

InChI

InChI=1S/C24H30N6O3/c1-32-20-7-6-18(15-21(20)33-2)9-14-30(13-4-3-5-19(30)16-22(25)31)23-8-10-27-24(28-23)29-12-11-26-17-29/h6-8,10-12,15,17,19H,3-5,9,13-14,16H2,1-2H3,(H-,25,31)/p+1